{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.653698 0.5 0.326412 ] [ 0.846302 0 0.673588 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.153698 0 0.326412 ] [ 0.346302 0.5 0.673588 ] [ 0.5 0 0.5 ] [ 0.338519 0.5 0.167887 ] [ 0.161481 0 0.832113 ] [ 0.838519 0 0.167887 ] [ 0.661481 0.5 0.832113 ] [ 0.178701 0 0.085026 ] [ 0.321299 0.5 0.914974 ] [ 0.489541 0 0.251668 ] [ 0.010459 0.5 0.748332 ] [ 0.678701 0.5 0.085026 ] [ 0.821299 0 0.914974 ] [ 0.989541 0.5 0.251668 ] [ 0.510459 0 0.748332 ] [ 0.830045 0 0.414271 ] [ 0.169955 0 0.585729 ] [ 0.330045 0.5 0.414271 ] [ 0.669955 0.5 0.585729 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.90717308 "source-unit" "angstrom" } "b" { "source-value" 2.94682192 "source-unit" "angstrom" } "c" { "source-value" 8.48252742 "source-unit" "angstrom" } "beta" { "source-value" 115.18210746 "source-unit" "degree" } }